3-(2-bromophenyl)-N-cyclopentylprop-2-enamide

C14H16BrNO — CID 78906926

IUPAC3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
SMILESO=C(C=Cc1ccccc1Br)NC1CCCC1
InChIInChI=1S/C14H16BrNO/c15-13-8-4-1-5-11(13)9-10-14(17)16-12-6-2-3-7-12/h1,4-5,8-10,12H,2-3,6-7H2,(H,16,17)
InChIKeyPIDBQQXIAAYXLM-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.52
Rot. Bonds3

About 3-(2-bromophenyl)-N-cyclopentylprop-2-enamide

3-(2-bromophenyl)-N-cyclopentylprop-2-enamide (PubChem CID 78906926) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-cyclopentylprop-2-enamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
PubChem CID78906926
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
SMILESO=C(C=Cc1ccccc1Br)NC1CCCC1
InChIInChI=1S/C14H16BrNO/c15-13-8-4-1-5-11(13)9-10-14(17)16-12-6-2-3-7-12/h1,4-5,8-10,12H,2-3,6-7H2,(H,16,17)
InChIKeyPIDBQQXIAAYXLM-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
(E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide
CID 83202500
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide
CID 74513688
N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 73338847
(E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide
CID 19201438
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563
2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765685

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-cyclopentylprop-2-enamide?
The IUPAC name of 3-(2-bromophenyl)-N-cyclopentylprop-2-enamide (CID 78906926) is 3-(2-bromophenyl)-N-cyclopentylprop-2-enamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-cyclopentylprop-2-enamide?
The canonical SMILES for 3-(2-bromophenyl)-N-cyclopentylprop-2-enamide is O=C(C=Cc1ccccc1Br)NC1CCCC1.
What is the InChIKey of 3-(2-bromophenyl)-N-cyclopentylprop-2-enamide?
The InChIKey is PIDBQQXIAAYXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c15-13-8-4-1-5-11(13)9-10-14(17)16-12-6-2-3-7-12/h1,4-5,8-10,12H,2-3,6-7H2,(H,16,17).
What are the key properties of 3-(2-bromophenyl)-N-cyclopentylprop-2-enamide?
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide has a molecular weight of 294.19 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-cyclopentylprop-2-enamide is sourced from PubChem (CID 78906926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).